5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one

C6H4BrF2NO2 — CID 130099986

IUPAC5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11)
InChIKeyQKYMZCQSGUPGHX-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one

5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 130099986) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID130099986
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11)
InChIKeyQKYMZCQSGUPGHX-UHFFFAOYSA-N
XLogP1.78
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 44192607
2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 67282122
2-(Difluoromethyl)-3,4,5-trihydroxypyridine
CID 118814776
2-(Difluoromethyl)-3,4-dihydroxy-5-iodopyridine
CID 118826058
2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118853713
3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
CID 130099985
2-(difluoromethyl)-5-fluoro-3-hydroxy-1H-pyridin-4-one
CID 130100050
2-(difluoromethyl)-3-fluoro-5-hydroxy-1H-pyridin-4-one
CID 130100054
2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130100166
3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
CID 130100167
5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130100168
2-(bromomethyl)-3-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
CID 130100170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 130099986) is 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is O=c1c(Br)c[nH]c(C(F)F)c1O.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is QKYMZCQSGUPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-2-1-10-3(6(8)9)5(12)4(2)11/h1,6,12H,(H,10,11).
What are the key properties of 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one has a molecular weight of 240.00 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130099986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).